1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

C14H19N3O2 — CID 108875834

IUPAC1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCNC(=O)NC1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H19N3O2/c1-10(11-6-4-3-5-7-11)17-9-12(8-13(17)18)16-14(19)15-2/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyGCPXYLDJXYWKDG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (PubChem CID 108875834) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
PubChem CID108875834
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCNC(=O)NC1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H19N3O2/c1-10(11-6-4-3-5-7-11)17-9-12(8-13(17)18)16-14(19)15-2/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyGCPXYLDJXYWKDG-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (CID 108875834) is 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is CNC(=O)NC1CC(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The InChIKey is GCPXYLDJXYWKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(11-6-4-3-5-7-11)17-9-12(8-13(17)18)16-14(19)15-2/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea has a molecular weight of 261.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 108875834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).